U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H14O3
Molecular Weight 194.2271
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-BUTOXYBENZOIC ACID

SMILES

CCCCOC1=CC=C(C=C1)C(O)=O

InChI

InChIKey=LAUFPZPAKULAGB-UHFFFAOYSA-N
InChI=1S/C11H14O3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3,(H,12,13)

HIDE SMILES / InChI

Molecular Formula C11H14O3
Molecular Weight 194.2271
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:16:24 GMT 2025
Edited
by admin
on Tue Apr 01 19:16:24 GMT 2025
Record UNII
ZS36TKQ5W4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-60247
Preferred Name English
4-BUTOXYBENZOIC ACID
Systematic Name English
BENZOIC ACID, 4-BUTOXY-
Systematic Name English
P-BUTOXYBENZOIC ACID
Common Name English
P-(N-BUTOXY)BENZOIC ACID
Common Name English
P-(BUTYLOXY)BENZOIC ACID
Common Name English
4-(BUTYLOXY)BENZOIC ACID
Systematic Name English
Code System Code Type Description
CAS
1498-96-0
Created by admin on Tue Apr 01 19:16:24 GMT 2025 , Edited by admin on Tue Apr 01 19:16:24 GMT 2025
PRIMARY
EPA CompTox
DTXSID50164388
Created by admin on Tue Apr 01 19:16:24 GMT 2025 , Edited by admin on Tue Apr 01 19:16:24 GMT 2025
PRIMARY
PUBCHEM
72971
Created by admin on Tue Apr 01 19:16:24 GMT 2025 , Edited by admin on Tue Apr 01 19:16:24 GMT 2025
PRIMARY
ECHA (EC/EINECS)
216-104-6
Created by admin on Tue Apr 01 19:16:24 GMT 2025 , Edited by admin on Tue Apr 01 19:16:24 GMT 2025
PRIMARY
FDA UNII
ZS36TKQ5W4
Created by admin on Tue Apr 01 19:16:24 GMT 2025 , Edited by admin on Tue Apr 01 19:16:24 GMT 2025
PRIMARY
NSC
60247
Created by admin on Tue Apr 01 19:16:24 GMT 2025 , Edited by admin on Tue Apr 01 19:16:24 GMT 2025
PRIMARY