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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H6O2
Molecular Weight 110.1106
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PYROCATECHOL

SMILES

OC1=C(O)C=CC=C1

InChI

InChIKey=YCIMNLLNPGFGHC-UHFFFAOYSA-N
InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H

HIDE SMILES / InChI
Molecular Formula C6H6O2
Molecular Weight 110.1106
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139,594

PubMed

Patents

JP2000327613A
1
JP2001069973A
1
JP2001329015A
1
JP2002268211A
1
JP2002533428A
1
JP2002534405A
1
JP2003137950A
1
JP2003327900A
1
JP2003338679A
1
JP2003342229A
1
JP2003528353A
1
JP2004026706A
1
JP2004059677A
1
JP2004123748A
1
JP2004244683A
1
JP2005220205A
1
JP2006249378A
2
JP2007111940A
1
JP2007197573A
1
JP2007508415A
1
JP2007525581A
1
JP2007532665A
3
JP2007535591A
1
JP2008127286A
1
JP2009127024A
1
JP2009269984A
1
JP2010513057A
2
JP2011021010A
1
JP2011505817A
2
JP4147483B2
1
JP4370072B2
48
JP4683842B2
7
JPH01265158A
1
JPH01308218A
1
JPH02202878A
1
JPH02249643A
1
JPH02308798A
1
JPH03174448A
1
JPH0353165A
1
JPH0364379A
1
JPH04108827A
1
JPH041115A
1
JPH04164017A
1
JPH04311328A
1
JPH0441474A
1
JPH05140027A
2
JPH05149938A
1
JPH05178883A
1
JPH05263088A
1
JPH05273757A
1
JPH05321017A
1
Substance Class Chemical
Record UNII
LF3AJ089DQ
Record Status Validated (UNII)
Record Version
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966