AG003CW1

5653-65-6 | 1-(3,4-Dimethoxyphenyl)ethanol

AG003CW1

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CAS Number	5653-65-6
Catalog Number	AG003CW1(AGN-PC-0SLW04)
Chemical Name	1-(3,4-Dimethoxyphenyl)ethanol
IUPAC Name	1-(3,4-dimethoxyphenyl)ethanol
InChI	InChI=1S/C10H14O3/c1-7(11)8-4-5-9(12-2)10(6-8)13-3/h4-7,11H,1-3H3
InChI Key	RTWOAVKBRMACKZ-UHFFFAOYSA-N
MDL Number	MFCD02127273
Molecular Formula	C10H14O3
Molecular Weight	182.2164
SMILES	CC(O)C1=CC=C(OC)C(OC)=C1
Synonyms	1-(3,4-dimethoxyphenyl)ethanol, 5653-65-6, 1-(3,4-dimethoxyphenyl)ethan-1-ol, bmse010004, SBB063523, 120466-67-3, (1S)-1-(3,4-dimethoxyphenyl)ethan-1-ol, 183072-05-1, SureCN670305, 3,4-Dimethoxyphenyl ethanol, SCHEMBL670305, AC1L91L5, AC1Q46M5, CHEBI:86531, CTK5A5304, DTXSID10331216, RTWOAVKBRMACKZ-UHFFFAOYSA-N, 1-(3,4-dimethoxyphenyl) ethanol, 4922AJ, MFCD02127273, AKOS000126609, AKOS022183678, AS-8012, MCULE-6289093226, TRA0051058, KS-000008W1, Benzenemethanol, 3,4-dimethoxy-a-methyl-, SC-27225, SY004567, AB0059170, TC-306542, FT-0703825, EN300-41071, Z-3846, MFCD02127273 (97+%), I01-1952, I01-9948, 3,4-dimethoxyphenylethanol, C10H14O3, CID436438, NSC401557, (1R)-1-(3,4-dimethoxyphenyl)ethan-1-ol, 1256633-34-7,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.094g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	182.219g/mol
Monoisotopic Mass	182.094g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	38.7A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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