CAS
93841-29-3 Purity
96%
93841-29-3 Purity
96%
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7-Cyclopentyl-3,4-dihydro-4-isopropyl-2,2-dimethyl-2H-1-benzopyran-4-ol
CAS
93841-37-3
Catalog Number
ACM93841373
Category
Other Products
Molecular Weight
288.42442
Molecular Formula
C19H28O2
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Specification
Synonyms
EINECS 299-006-6, 7-Cyclopentyl-3,4-dihydro-4-isopropyl-2,2-dimethyl-2H-1-benzopyran-4-ol, 93841-37-3
IUPAC Name
7-cyclopentyl-2,2-dimethyl-4-propan-2-yl-3H-chromen-4-ol
Canonical SMILES
CC(C)C1(CC(OC2=C1C=CC(=C2)C3CCCC3)(C)C)O
InChI Key
YGQOICKVIRXMKU-UHFFFAOYSA-N
Boiling Point
409.9ºC at 760mmHg
Flash Point
170.9ºC
Density
1.042g/cm³
EC Number
299-006-6
Exact Mass
288.20900
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of the compound mentioned in the reference?
The molecular formula is C19H28O2.
What is the molecular weight of the compound?
The molecular weight is 288.4 g/mol.
What are some synonyms of the compound?
Some synonyms include 93841-37-3, EINECS 299-006-6, and 7-Cyclopentyl-3,4-dihydro-4-isopropyl-2,2-dimethyl-2H-1-benzopyran-4-ol.
When was the structure of the compound created and last modified?
The structure was created on July 11, 2007, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name is 7-cyclopentyl-2,2-dimethyl-4-propan-2-yl-3H-chromen-4-ol.
What is the InChI key of the compound?
The InChI key is YGQOICKVIRXMKU-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 4.9.
How many hydrogen bond acceptor counts does the compound have?
The compound has 2 hydrogen bond acceptor counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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